CAS 17484-36-5 | Benzene, 4-methoxy-1-methyl-2-nitro- | CAS Number 17484-36-5

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17484-36-5 | Benzene, 4-methoxy-1-methyl-2-nitro-

CAS No: 17484-36-5 Catalog No: AG001ZZR MDL No:MFCD00007173

Product Description

Catalog Number:

AG001ZZR

Chemical Name:

Benzene, 4-methoxy-1-methyl-2-nitro-

CAS Number:

17484-36-5

Molecular Formula:

C8H9NO3

Molecular Weight:

167.1620

MDL Number:

MFCD00007173

IUPAC Name:

4-methoxy-1-methyl-2-nitrobenzene

InChI:

InChI=1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3

InChI Key:

JBORNNNGTJSTLC-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)[N+](=O)[O-])C

EC Number:

241-500-0

Properties

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.164g/mol

Monoisotopic Mass:

167.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis, stability and optimized photolytic cleavage of 4-methoxy-2-nitrobenzyl backbone-protected peptides.	Chemical communications (Cambridge, England) 20060414
Synthesis and evaluation of 5,7-dihydro-3-[2-[1-(4-[18F]-fluorobenzyl)-4-piperidinyl]ethyl]-6H-pyrrolo[3,2-f]-1,2-benzisoxazol-6-one for in vivo mapping of acetylcholinesterase.	Nuclear medicine communications 20040601